N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide

C14H25FN4 — CID 123188106

IUPACN-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N(C=C(C)F)/C(CC)=N/[H])N1C(C)CCCC1C
InChIInChI=1S/C14H25FN4/c1-5-13(16)18(9-10(2)15)14(17)19-11(3)7-6-8-12(19)4/h9,11-12,16-17H,5-8H2,1-4H3/b10-9?,16-13+,17-14+
InChIKeyQHBIVSZEZLGGGG-GCQROQRVSA-N
MW268.38 g/mol
LogP3.70
Rot. Bonds2

About N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide

N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide (PubChem CID 123188106) has the molecular formula C14H25FN4 and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide
PubChem CID123188106
Molecular FormulaC14H25FN4
Molecular Weight268.38 g/mol
Exact Mass268.21
IUPAC NameN-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N(C=C(C)F)/C(CC)=N/[H])N1C(C)CCCC1C
InChIInChI=1S/C14H25FN4/c1-5-13(16)18(9-10(2)15)14(17)19-11(3)7-6-8-12(19)4/h9,11-12,16-17H,5-8H2,1-4H3/b10-9?,16-13+,17-14+
InChIKeyQHBIVSZEZLGGGG-GCQROQRVSA-N
XLogP3.70
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide?
The IUPAC name of N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide (CID 123188106) is N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide?
The canonical SMILES for N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide is [H]/N=C(\N(C=C(C)F)/C(CC)=N/[H])N1C(C)CCCC1C.
What is the InChIKey of N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide?
The InChIKey is QHBIVSZEZLGGGG-GCQROQRVSA-N. The full InChI is InChI=1S/C14H25FN4/c1-5-13(16)18(9-10(2)15)14(17)19-11(3)7-6-8-12(19)4/h9,11-12,16-17H,5-8H2,1-4H3/b10-9?,16-13+,17-14+.
What are the key properties of N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide?
N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide has a molecular weight of 268.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroprop-1-enyl)-2,6-dimethyl-N-propanimidoylpiperidine-1-carboximidamide is sourced from PubChem (CID 123188106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).